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Ekins, Sean

Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals

Ekins, Sean - Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals, ebook

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ISBN: 9780470145883
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A comprehensive analysis of state-of-the-art molecular modeling approaches and strategies applied to risk assessment for pharmaceutical and environmental chemicals

This unique volume describes how the interaction of molecules with toxicologically relevant targets can be predicted using computer-based tools utilizing X-ray crystal structures or homology, receptor, pharmacophore, and quantitative structure activity relationship (QSAR) models of human proteins. It covers the in vitro models used, newer technologies, and regulatory aspects. The book offers a complete systems perspective to risk assessment prediction, discussing experimental and computational approaches in detail, with:

  • An introduction to toxicology methods and an explanation of computational methods
  • In-depth reviews of QSAR methods applied to enzymes, transporters, nuclear receptors, and ion channels
  • Sections on applying computers to toxicology assessment in the pharmaceutical industry and in the environmental arena
  • Chapters written by leading international experts
  • Figures that illustrate computational models and references for further information
This is a key resource for toxicologists and scientists in the pharmaceutical industry and environmental sciences as well as researchers involved in ADMET, drug discovery, and technology and software development.

Keywords: SCIENCE / Chemistry / Industrial & Technical SCI013060

Author(s)
Publisher
John Wiley and Sons, Inc.
Publication year
2007
Language
en
Edition
1
Series
Wiley Series on Technologies for the Pharmaceutical Industry
Page amount
800 pages
Category
Technology, Energy, Traffic
Format
Ebook
eISBN (PDF)
9780470145883
Printed ISBN
9780470049624

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